Complete topological vector spaceIn functional analysis and related areas of mathematics, a complete topological vector space is a topological vector space (TVS) with the property that whenever points get progressively closer to each other, then there exists some point towards which they all get closer. The notion of "points that get progressively closer" is made rigorous by or , which are generalizations of , while "point towards which they all get closer" means that this Cauchy net or filter converges to The notion of completeness for TVSs uses the theory of uniform spaces as a framework to generalize the notion of completeness for metric spaces.
Molecular geometryMolecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths, bond angles, torsional angles and any other geometrical parameters that determine the position of each atom. Molecular geometry influences several properties of a substance including its reactivity, polarity, phase of matter, color, magnetism and biological activity. The angles between bonds that an atom forms depend only weakly on the rest of molecule, i.
EntropyEntropy is a scientific concept, as well as a measurable physical property, that is most commonly associated with a state of disorder, randomness, or uncertainty. The term and the concept are used in diverse fields, from classical thermodynamics, where it was first recognized, to the microscopic description of nature in statistical physics, and to the principles of information theory.
Water modelIn computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent. The models are determined from quantum mechanics, molecular mechanics, experimental results, and these combinations. To imitate a specific nature of molecules, many types of models have been developed. In general, these can be classified by the following three points; (i) the number of interaction points called site, (ii) whether the model is rigid or flexible, (iii) whether the model includes polarization effects.
Topological spaceIn mathematics, a topological space is, roughly speaking, a geometrical space in which closeness is defined but cannot necessarily be measured by a numeric distance. More specifically, a topological space is a set whose elements are called points, along with an additional structure called a topology, which can be defined as a set of neighbourhoods for each point that satisfy some axioms formalizing the concept of closeness.
Second law of thermodynamicsThe second law of thermodynamics is a physical law based on universal experience concerning heat and energy interconversions. One simple statement of the law is that heat always moves from hotter objects to colder objects (or "downhill"), unless energy in some form is supplied to reverse the direction of heat flow. Another definition is: "Not all heat energy can be converted into work in a cyclic process." The second law of thermodynamics in other versions establishes the concept of entropy as a physical property of a thermodynamic system.
Thermodynamic equilibriumThermodynamic equilibrium is an axiomatic concept of thermodynamics. It is an internal state of a single thermodynamic system, or a relation between several thermodynamic systems connected by more or less permeable or impermeable walls. In thermodynamic equilibrium, there are no net macroscopic flows of matter nor of energy within a system or between systems. In a system that is in its own state of internal thermodynamic equilibrium, no macroscopic change occurs.
Topological ringIn mathematics, a topological ring is a ring that is also a topological space such that both the addition and the multiplication are continuous as maps: where carries the product topology. That means is an additive topological group and a multiplicative topological semigroup. Topological rings are fundamentally related to topological fields and arise naturally while studying them, since for example completion of a topological field may be a topological ring which is not a field.
Insulator (electricity)An electrical insulator is a material in which electric current does not flow freely. The atoms of the insulator have tightly bound electrons which cannot readily move. Other materials—semiconductors and conductors—conduct electric current more easily. The property that distinguishes an insulator is its resistivity; insulators have higher resistivity than semiconductors or conductors. The most common examples are non-metals. A perfect insulator does not exist because even insulators contain small numbers of mobile charges (charge carriers) which can carry current.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
